sodium 2-ethyl-3,6-bis(fluoranyl)benzenesulfonate

Systemtic Name: sodium 2-ethyl-3,6-bis(fluoranyl)benzenesulfonate Openeye Name: sodium 2-ethyl-3,6-difluoro-benzenesulfonate CAS Name: sodium 2-ethyl-3,6-difluorobenzenesulfonate IUPAC Name: sodium 2-ethyl-3,6-difluorobenzenesulfonate Traditional Name: sodium 2-ethyl-3,6-difluoro-besylate Formula: C8H7F2NaO3S MolecularWeight: 244.190956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)[O-])F)F.[Na+]

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)[O-])F)F.[Na+]

InChI

InChI=1S/C8H8F2O3S.Na/c1-2-5-6(9)3-4-7(10)8(5)14(11,12)13;/h3-4H,2H2,1H3,(H,11,12,13);/q;+1/p-1